N-(4-butylphenyl)-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[2,4-diketo-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C26H26N6O5S MolecularWeight: 534.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O5S/c1-4-5-6-16-7-11-18(12-8-16)27-20(33)15-38-24-21-23(30(2)26(35)31(3)25(21)34)28-22(29-24)17-9-13-19(14-10-17)32(36)37/h7-14H,4-6,15H2,1-3H3,(H,27,33)